Geometry & MOs

Info

ID:

94558

PubChem CID:

50002275

Reduced:

Cl2O4N5C30H39 (1)

Stoich.:

A2B4C5D30E39 (1)

Weight, g/mol:

613.22637

ΔHf, kcal/mol:

-185.76

Dipole, Da:

7.93

IP(EA), eV:

 -8.77(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromoanilino)-3-oxopropyl]-1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations